USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 MET CE :methyl -130:sc=-0.00249 (180deg=-0.765) USER MOD Set 1.2: A 88 THR OG1 : rot 80:sc= 1.38 USER MOD Set 2.1: A 84 SER OG : rot 68:sc= 0.102 USER MOD Set 2.2: A 97 SER OG : rot 81:sc= -0.485 USER MOD Set 3.1: A 67 THR OG1 : rot 62:sc= -0.0147! USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 47 THR OG1 : rot -23:sc= -0.314 USER MOD Set 5.1: A 9 MET CE :methyl 172:sc= -2.11 (180deg=-0.421) USER MOD Set 5.2: A 89 LYS NZ :NH3+ 158:sc= -1.79 (180deg=-1.65!) USER MOD Single : A 10 MET CE :methyl -150:sc=-0.000973 (180deg=-0.105) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc=-0.00131 X(o=-0.0013,f=-0.31) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= 0.0423 F(o=-0.78,f=0.042) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 139:sc= -0.269 (180deg=-2.04!) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -2.64 F(o=-3.4!,f=-2.6) USER MOD Single : A 38 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.053) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -65:sc= 1.15 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -159:sc= 0.381 USER MOD Single : A 51 LYS NZ :NH3+ -140:sc= 0.971 (180deg=-0.179) USER MOD Single : A 52 THR OG1 : rot 31:sc= 0.494 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 175:sc= 0.0126 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.47!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 66 THR OG1 : rot 52:sc= 1.16 USER MOD Single : A 70 TYR OH : rot 150:sc= -0.0525 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.3) USER MOD Single : A 79 THR OG1 : rot 68:sc= 0.807 USER MOD Single : A 81 TYR OH : rot 30:sc= 0.411 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 110:sc= -0.922 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -1.08 F(o=-1.9,f=-1.1) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -164:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.758 -1.652 11.012 1.00 0.00 N ATOM 81 CA MET A 9 13.007 -0.643 10.274 1.00 0.00 C ATOM 82 C MET A 9 11.523 -0.709 10.621 1.00 0.00 C ATOM 83 O MET A 9 10.966 -1.791 10.802 1.00 0.00 O ATOM 84 CB MET A 9 13.200 -0.833 8.769 1.00 0.00 C ATOM 85 CG MET A 9 14.571 -0.404 8.272 1.00 0.00 C ATOM 86 SD MET A 9 14.754 1.388 8.202 1.00 0.00 S ATOM 87 CE MET A 9 13.928 1.753 6.655 1.00 0.00 C ATOM 0 HA MET A 9 13.386 0.338 10.560 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.045 -1.883 8.521 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.436 -0.264 8.239 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.337 -0.818 8.928 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.741 -0.822 7.280 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.832 2.833 6.540 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.511 1.350 5.827 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.937 1.299 6.656 1.00 0.00 H new ATOM 97 N MET A 10 10.889 0.456 10.713 1.00 0.00 N ATOM 98 CA MET A 10 9.469 0.529 11.037 1.00 0.00 C ATOM 99 C MET A 10 8.628 0.647 9.771 1.00 0.00 C ATOM 100 O MET A 10 8.976 1.361 8.829 1.00 0.00 O ATOM 101 CB MET A 10 9.196 1.720 11.958 1.00 0.00 C ATOM 102 CG MET A 10 9.750 1.542 13.362 1.00 0.00 C ATOM 103 SD MET A 10 8.708 0.491 14.392 1.00 0.00 S ATOM 104 CE MET A 10 9.689 -1.006 14.450 1.00 0.00 C ATOM 0 H MET A 10 11.336 1.361 10.568 1.00 0.00 H new ATOM 0 HA MET A 10 9.191 -0.391 11.552 1.00 0.00 H new ATOM 0 HB2 MET A 10 9.630 2.617 11.516 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.120 1.883 12.019 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.749 1.110 13.302 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.853 2.519 13.834 1.00 0.00 H new ATOM 0 HE1 MET A 10 9.031 -1.869 14.554 1.00 0.00 H new ATOM 0 HE2 MET A 10 10.266 -1.099 13.530 1.00 0.00 H new ATOM 0 HE3 MET A 10 10.368 -0.963 15.301 1.00 0.00 H new ATOM 114 N PRO A 11 7.494 -0.068 9.744 1.00 0.00 N ATOM 115 CA PRO A 11 6.579 -0.060 8.598 1.00 0.00 C ATOM 116 C PRO A 11 5.857 1.274 8.443 1.00 0.00 C ATOM 117 O PRO A 11 5.762 2.069 9.379 1.00 0.00 O ATOM 118 CB PRO A 11 5.582 -1.172 8.932 1.00 0.00 C ATOM 119 CG PRO A 11 5.609 -1.272 10.418 1.00 0.00 C ATOM 120 CD PRO A 11 7.016 -0.941 10.830 1.00 0.00 C ATOM 0 HA PRO A 11 7.105 -0.210 7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.583 -0.930 8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.870 -2.115 8.467 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.897 -0.580 10.869 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.332 -2.274 10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.043 -0.434 11.795 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.629 -1.838 10.924 1.00 0.00 H new ATOM 128 N PRO A 12 5.333 1.528 7.234 1.00 0.00 N ATOM 129 CA PRO A 12 4.609 2.765 6.929 1.00 0.00 C ATOM 130 C PRO A 12 3.260 2.836 7.636 1.00 0.00 C ATOM 131 O PRO A 12 2.389 1.994 7.420 1.00 0.00 O ATOM 132 CB PRO A 12 4.415 2.697 5.412 1.00 0.00 C ATOM 133 CG PRO A 12 4.452 1.243 5.090 1.00 0.00 C ATOM 134 CD PRO A 12 5.408 0.626 6.073 1.00 0.00 C ATOM 0 HA PRO A 12 5.152 3.649 7.264 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.467 3.144 5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.202 3.239 4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.461 0.798 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.785 1.078 4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.115 -0.391 6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.420 0.573 5.670 1.00 0.00 H new ATOM 142 N VAL A 13 3.093 3.848 8.482 1.00 0.00 N ATOM 143 CA VAL A 13 1.849 4.031 9.220 1.00 0.00 C ATOM 144 C VAL A 13 0.911 4.984 8.488 1.00 0.00 C ATOM 145 O VAL A 13 1.222 5.465 7.399 1.00 0.00 O ATOM 146 CB VAL A 13 2.112 4.573 10.637 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.064 3.658 11.391 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.661 5.990 10.572 1.00 0.00 C ATOM 0 H VAL A 13 3.804 4.554 8.673 1.00 0.00 H new ATOM 0 HA VAL A 13 1.379 3.051 9.296 1.00 0.00 H new ATOM 0 HB VAL A 13 1.166 4.599 11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.238 4.058 12.390 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.627 2.663 11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.011 3.597 10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.841 6.357 11.582 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.597 5.992 10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.939 6.637 10.074 1.00 0.00 H new ATOM 158 N GLY A 14 -0.241 5.254 9.095 1.00 0.00 N ATOM 159 CA GLY A 14 -1.207 6.150 8.487 1.00 0.00 C ATOM 160 C GLY A 14 -1.719 5.634 7.157 1.00 0.00 C ATOM 161 O GLY A 14 -2.390 6.356 6.420 1.00 0.00 O ATOM 0 H GLY A 14 -0.522 4.868 9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.047 6.289 9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.749 7.128 8.342 1.00 0.00 H new ATOM 165 N VAL A 15 -1.400 4.381 6.848 1.00 0.00 N ATOM 166 CA VAL A 15 -1.832 3.770 5.597 1.00 0.00 C ATOM 167 C VAL A 15 -3.349 3.825 5.452 1.00 0.00 C ATOM 168 O VAL A 15 -4.077 3.175 6.202 1.00 0.00 O ATOM 169 CB VAL A 15 -1.371 2.303 5.501 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.671 1.738 4.121 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.111 2.189 5.823 1.00 0.00 C ATOM 0 H VAL A 15 -0.844 3.770 7.446 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.373 4.342 4.791 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.925 1.717 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.338 0.701 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.744 1.784 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.146 2.323 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.420 1.146 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.684 2.787 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.292 2.552 6.835 1.00 0.00 H new ATOM 181 N GLN A 16 -3.817 4.605 4.483 1.00 0.00 N ATOM 182 CA GLN A 16 -5.248 4.745 4.241 1.00 0.00 C ATOM 183 C GLN A 16 -5.554 4.704 2.748 1.00 0.00 C ATOM 184 O GLN A 16 -4.652 4.798 1.917 1.00 0.00 O ATOM 185 CB GLN A 16 -5.764 6.053 4.844 1.00 0.00 C ATOM 186 CG GLN A 16 -7.279 6.176 4.826 1.00 0.00 C ATOM 187 CD GLN A 16 -7.791 7.218 5.800 1.00 0.00 C ATOM 188 OE1 GLN A 16 -8.666 6.940 6.621 1.00 0.00 O ATOM 189 NE2 GLN A 16 -7.248 8.427 5.715 1.00 0.00 N ATOM 0 H GLN A 16 -3.227 5.149 3.853 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.755 3.908 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.414 6.132 5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.333 6.891 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.607 6.433 3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.721 5.210 5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.526 8.614 5.020 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.553 9.169 6.345 1.00 0.00 H new ATOM 198 N ALA A 17 -6.833 4.563 2.414 1.00 0.00 N ATOM 199 CA ALA A 17 -7.258 4.512 1.021 1.00 0.00 C ATOM 200 C ALA A 17 -8.469 5.406 0.783 1.00 0.00 C ATOM 201 O ALA A 17 -9.591 5.061 1.155 1.00 0.00 O ATOM 202 CB ALA A 17 -7.570 3.078 0.617 1.00 0.00 C ATOM 0 H ALA A 17 -7.593 4.482 3.090 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.440 4.882 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.886 3.054 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.678 2.463 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.369 2.688 1.247 1.00 0.00 H new ATOM 208 N SER A 18 -8.236 6.558 0.162 1.00 0.00 N ATOM 209 CA SER A 18 -9.309 7.505 -0.122 1.00 0.00 C ATOM 210 C SER A 18 -10.001 7.163 -1.437 1.00 0.00 C ATOM 211 O SER A 18 -9.493 7.470 -2.516 1.00 0.00 O ATOM 212 CB SER A 18 -8.757 8.931 -0.178 1.00 0.00 C ATOM 213 OG SER A 18 -8.789 9.540 1.101 1.00 0.00 O ATOM 0 H SER A 18 -7.314 6.858 -0.154 1.00 0.00 H new ATOM 0 HA SER A 18 -10.042 7.438 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.733 8.914 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.342 9.524 -0.881 1.00 0.00 H new ATOM 0 HG SER A 18 -8.430 10.450 1.039 1.00 0.00 H new ATOM 219 N ILE A 19 -11.163 6.527 -1.339 1.00 0.00 N ATOM 220 CA ILE A 19 -11.926 6.144 -2.521 1.00 0.00 C ATOM 221 C ILE A 19 -12.241 7.358 -3.389 1.00 0.00 C ATOM 222 O ILE A 19 -13.175 8.110 -3.109 1.00 0.00 O ATOM 223 CB ILE A 19 -13.244 5.445 -2.138 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.987 4.364 -1.087 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.905 4.847 -3.371 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.759 3.526 -1.370 1.00 0.00 C ATOM 0 H ILE A 19 -11.597 6.266 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.306 5.448 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.920 6.186 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.878 4.836 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.857 3.711 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.835 4.357 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.119 5.639 -4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.235 4.117 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.638 2.780 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.874 3.025 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.879 4.168 -1.399 1.00 0.00 H new ATOM 238 N LEU A 20 -11.456 7.542 -4.445 1.00 0.00 N ATOM 239 CA LEU A 20 -11.652 8.664 -5.356 1.00 0.00 C ATOM 240 C LEU A 20 -12.689 8.325 -6.422 1.00 0.00 C ATOM 241 O LEU A 20 -13.570 9.131 -6.723 1.00 0.00 O ATOM 242 CB LEU A 20 -10.327 9.043 -6.021 1.00 0.00 C ATOM 243 CG LEU A 20 -9.112 9.126 -5.096 1.00 0.00 C ATOM 244 CD1 LEU A 20 -7.838 9.316 -5.905 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.282 10.257 -4.093 1.00 0.00 C ATOM 0 H LEU A 20 -10.679 6.929 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.017 9.512 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.114 8.314 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.452 10.009 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.033 8.188 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.984 9.373 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.709 8.473 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.907 10.238 -6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.408 10.301 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.387 11.203 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.173 10.079 -3.491 1.00 0.00 H new ATOM 257 N SER A 21 -12.580 7.127 -6.988 1.00 0.00 N ATOM 258 CA SER A 21 -13.508 6.682 -8.021 1.00 0.00 C ATOM 259 C SER A 21 -13.680 5.167 -7.980 1.00 0.00 C ATOM 260 O SER A 21 -13.095 4.486 -7.137 1.00 0.00 O ATOM 261 CB SER A 21 -13.011 7.113 -9.402 1.00 0.00 C ATOM 262 OG SER A 21 -13.104 8.518 -9.562 1.00 0.00 O ATOM 0 H SER A 21 -11.858 6.447 -6.748 1.00 0.00 H new ATOM 0 HA SER A 21 -14.476 7.145 -7.830 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.976 6.796 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.598 6.616 -10.175 1.00 0.00 H new ATOM 0 HG SER A 21 -12.779 8.768 -10.452 1.00 0.00 H new ATOM 268 N HIS A 22 -14.489 4.645 -8.897 1.00 0.00 N ATOM 269 CA HIS A 22 -14.739 3.209 -8.967 1.00 0.00 C ATOM 270 C HIS A 22 -13.465 2.453 -9.332 1.00 0.00 C ATOM 271 O HIS A 22 -13.327 1.268 -9.029 1.00 0.00 O ATOM 272 CB HIS A 22 -15.834 2.911 -9.991 1.00 0.00 C ATOM 273 CG HIS A 22 -15.404 3.129 -11.409 1.00 0.00 C ATOM 274 ND1 HIS A 22 -15.283 4.381 -11.974 1.00 0.00 N ATOM 275 CD2 HIS A 22 -15.065 2.247 -12.377 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.889 4.259 -13.229 1.00 0.00 C ATOM 277 NE2 HIS A 22 -14.749 2.974 -13.498 1.00 0.00 N ATOM 0 H HIS A 22 -14.982 5.194 -9.601 1.00 0.00 H new ATOM 0 HA HIS A 22 -15.070 2.874 -7.984 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -16.158 1.877 -9.873 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.698 3.542 -9.781 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -15.046 1.171 -12.285 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.712 5.072 -13.918 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -14.454 2.585 -14.393 1.00 0.00 H new ATOM 286 N ASP A 23 -12.538 3.146 -9.984 1.00 0.00 N ATOM 287 CA ASP A 23 -11.275 2.540 -10.390 1.00 0.00 C ATOM 288 C ASP A 23 -10.097 3.429 -10.006 1.00 0.00 C ATOM 289 O ASP A 23 -9.045 3.396 -10.645 1.00 0.00 O ATOM 290 CB ASP A 23 -11.268 2.286 -11.898 1.00 0.00 C ATOM 291 CG ASP A 23 -11.240 3.572 -12.701 1.00 0.00 C ATOM 292 OD1 ASP A 23 -11.691 4.610 -12.174 1.00 0.00 O ATOM 293 OD2 ASP A 23 -10.769 3.540 -13.857 1.00 0.00 O ATOM 0 H ASP A 23 -12.637 4.128 -10.243 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.173 1.588 -9.869 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.400 1.680 -12.158 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.152 1.710 -12.171 1.00 0.00 H new ATOM 298 N THR A 24 -10.281 4.226 -8.957 1.00 0.00 N ATOM 299 CA THR A 24 -9.235 5.126 -8.489 1.00 0.00 C ATOM 300 C THR A 24 -9.183 5.164 -6.966 1.00 0.00 C ATOM 301 O THR A 24 -10.212 5.307 -6.304 1.00 0.00 O ATOM 302 CB THR A 24 -9.445 6.556 -9.020 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.849 6.514 -10.393 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.171 7.376 -8.886 1.00 0.00 C ATOM 0 H THR A 24 -11.145 4.266 -8.416 1.00 0.00 H new ATOM 0 HA THR A 24 -8.291 4.739 -8.872 1.00 0.00 H new ATOM 0 HB THR A 24 -10.227 7.029 -8.426 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.982 7.427 -10.723 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.344 8.382 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.882 7.431 -7.836 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.372 6.904 -9.458 1.00 0.00 H new ATOM 312 N ILE A 25 -7.981 5.036 -6.415 1.00 0.00 N ATOM 313 CA ILE A 25 -7.797 5.057 -4.969 1.00 0.00 C ATOM 314 C ILE A 25 -6.459 5.686 -4.595 1.00 0.00 C ATOM 315 O ILE A 25 -5.425 5.365 -5.182 1.00 0.00 O ATOM 316 CB ILE A 25 -7.870 3.640 -4.371 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.221 2.997 -4.693 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.645 3.688 -2.867 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.457 1.691 -3.966 1.00 0.00 C ATOM 0 H ILE A 25 -7.120 4.917 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.607 5.658 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.083 3.032 -4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.017 3.696 -4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.284 2.822 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.700 2.679 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.662 4.111 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.412 4.309 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.433 1.292 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.682 0.976 -4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.426 1.863 -2.890 1.00 0.00 H new ATOM 331 N ARG A 26 -6.486 6.581 -3.614 1.00 0.00 N ATOM 332 CA ARG A 26 -5.275 7.255 -3.160 1.00 0.00 C ATOM 333 C ARG A 26 -4.694 6.560 -1.932 1.00 0.00 C ATOM 334 O ARG A 26 -5.295 6.572 -0.858 1.00 0.00 O ATOM 335 CB ARG A 26 -5.571 8.720 -2.838 1.00 0.00 C ATOM 336 CG ARG A 26 -4.356 9.627 -2.953 1.00 0.00 C ATOM 337 CD ARG A 26 -4.724 11.083 -2.716 1.00 0.00 C ATOM 338 NE ARG A 26 -5.177 11.739 -3.940 1.00 0.00 N ATOM 339 CZ ARG A 26 -4.392 11.958 -4.990 1.00 0.00 C ATOM 340 NH1 ARG A 26 -3.123 11.576 -4.965 1.00 0.00 N ATOM 341 NH2 ARG A 26 -4.878 12.561 -6.068 1.00 0.00 N ATOM 0 H ARG A 26 -7.333 6.857 -3.118 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.540 7.209 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.348 9.081 -3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.969 8.787 -1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.601 9.319 -2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.912 9.519 -3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.509 11.140 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.860 11.615 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.148 12.046 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.746 11.112 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.523 11.746 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.854 12.856 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.275 12.729 -6.874 1.00 0.00 H new ATOM 355 N ILE A 27 -3.522 5.955 -2.099 1.00 0.00 N ATOM 356 CA ILE A 27 -2.861 5.256 -1.005 1.00 0.00 C ATOM 357 C ILE A 27 -1.698 6.074 -0.453 1.00 0.00 C ATOM 358 O ILE A 27 -0.588 6.034 -0.984 1.00 0.00 O ATOM 359 CB ILE A 27 -2.338 3.878 -1.451 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.490 3.015 -1.971 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.626 3.184 -0.300 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.568 2.763 -0.940 1.00 0.00 C ATOM 0 H ILE A 27 -3.011 5.935 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.608 5.116 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.623 4.022 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.935 3.502 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.092 2.059 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.262 2.211 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.784 3.794 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.321 3.049 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.352 2.145 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.137 2.248 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.993 3.714 -0.618 1.00 0.00 H new ATOM 374 N THR A 28 -1.960 6.817 0.618 1.00 0.00 N ATOM 375 CA THR A 28 -0.936 7.645 1.243 1.00 0.00 C ATOM 376 C THR A 28 -0.592 7.135 2.638 1.00 0.00 C ATOM 377 O THR A 28 -1.451 6.607 3.345 1.00 0.00 O ATOM 378 CB THR A 28 -1.385 9.115 1.343 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.644 9.198 2.020 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.505 9.739 -0.040 1.00 0.00 C ATOM 0 H THR A 28 -2.873 6.862 1.071 1.00 0.00 H new ATOM 0 HA THR A 28 -0.052 7.585 0.609 1.00 0.00 H new ATOM 0 HB THR A 28 -0.632 9.664 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.921 10.136 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.823 10.777 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.538 9.701 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.240 9.187 -0.626 1.00 0.00 H new ATOM 388 N TRP A 29 0.667 7.295 3.028 1.00 0.00 N ATOM 389 CA TRP A 29 1.123 6.851 4.340 1.00 0.00 C ATOM 390 C TRP A 29 2.141 7.826 4.921 1.00 0.00 C ATOM 391 O TRP A 29 2.517 8.803 4.275 1.00 0.00 O ATOM 392 CB TRP A 29 1.735 5.453 4.243 1.00 0.00 C ATOM 393 CG TRP A 29 2.840 5.356 3.235 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.173 5.547 3.458 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.705 5.048 1.843 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.875 5.376 2.290 1.00 0.00 N ATOM 397 CE2 TRP A 29 3.998 5.068 1.284 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.618 4.754 1.015 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.230 4.807 -0.063 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.850 4.496 -0.322 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.148 4.523 -0.851 1.00 0.00 C ATOM 0 H TRP A 29 1.390 7.729 2.455 1.00 0.00 H new ATOM 0 HA TRP A 29 0.260 6.817 5.005 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.119 5.164 5.221 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.953 4.739 3.984 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.611 5.796 4.413 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.886 5.464 2.188 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.615 4.729 1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.229 4.828 -0.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.017 4.270 -0.971 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.297 4.316 -1.900 1.00 0.00 H new ATOM 412 N ALA A 30 2.583 7.554 6.145 1.00 0.00 N ATOM 413 CA ALA A 30 3.559 8.407 6.812 1.00 0.00 C ATOM 414 C ALA A 30 4.723 7.586 7.356 1.00 0.00 C ATOM 415 O ALA A 30 4.522 6.562 8.009 1.00 0.00 O ATOM 416 CB ALA A 30 2.895 9.193 7.933 1.00 0.00 C ATOM 0 H ALA A 30 2.280 6.750 6.694 1.00 0.00 H new ATOM 0 HA ALA A 30 3.955 9.108 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.636 9.826 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.102 9.816 7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.471 8.501 8.661 1.00 0.00 H new ATOM 422 N ASP A 31 5.941 8.042 7.083 1.00 0.00 N ATOM 423 CA ASP A 31 7.138 7.350 7.546 1.00 0.00 C ATOM 424 C ASP A 31 7.861 8.168 8.611 1.00 0.00 C ATOM 425 O ASP A 31 8.819 8.881 8.315 1.00 0.00 O ATOM 426 CB ASP A 31 8.079 7.073 6.372 1.00 0.00 C ATOM 427 CG ASP A 31 8.911 5.822 6.580 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.443 4.728 6.201 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.030 5.939 7.122 1.00 0.00 O ATOM 0 H ASP A 31 6.125 8.888 6.543 1.00 0.00 H new ATOM 0 HA ASP A 31 6.832 6.402 7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.494 6.969 5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.741 7.927 6.231 1.00 0.00 H new ATOM 434 N ASN A 32 7.394 8.061 9.851 1.00 0.00 N ATOM 435 CA ASN A 32 7.995 8.793 10.960 1.00 0.00 C ATOM 436 C ASN A 32 9.518 8.725 10.894 1.00 0.00 C ATOM 437 O ASN A 32 10.209 9.665 11.287 1.00 0.00 O ATOM 438 CB ASN A 32 7.505 8.230 12.295 1.00 0.00 C ATOM 439 CG ASN A 32 7.477 6.713 12.307 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.362 6.139 11.870 1.00 0.00 O flip ATOM 441 ND2 ASN A 32 8.446 6.066 12.704 1.00 0.00 N flip ATOM 0 H ASN A 32 6.602 7.475 10.113 1.00 0.00 H new ATOM 0 HA ASN A 32 7.692 9.837 10.881 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.153 8.585 13.096 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.505 8.611 12.502 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.283 6.549 13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.412 5.047 12.706 1.00 0.00 H new ATOM 448 N SER A 33 10.034 7.607 10.395 1.00 0.00 N ATOM 449 CA SER A 33 11.475 7.414 10.281 1.00 0.00 C ATOM 450 C SER A 33 12.152 8.678 9.759 1.00 0.00 C ATOM 451 O SER A 33 13.254 9.027 10.184 1.00 0.00 O ATOM 452 CB SER A 33 11.782 6.237 9.353 1.00 0.00 C ATOM 453 OG SER A 33 13.050 5.675 9.645 1.00 0.00 O ATOM 0 H SER A 33 9.476 6.821 10.063 1.00 0.00 H new ATOM 0 HA SER A 33 11.867 7.196 11.274 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.010 5.475 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.759 6.572 8.316 1.00 0.00 H new ATOM 0 HG SER A 33 13.222 4.924 9.040 1.00 0.00 H new ATOM 459 N LEU A 34 11.486 9.359 8.834 1.00 0.00 N ATOM 460 CA LEU A 34 12.021 10.585 8.252 1.00 0.00 C ATOM 461 C LEU A 34 12.291 11.628 9.331 1.00 0.00 C ATOM 462 O LEU A 34 11.560 11.742 10.315 1.00 0.00 O ATOM 463 CB LEU A 34 11.049 11.148 7.214 1.00 0.00 C ATOM 464 CG LEU A 34 10.818 10.285 5.972 1.00 0.00 C ATOM 465 CD1 LEU A 34 9.645 10.816 5.164 1.00 0.00 C ATOM 466 CD2 LEU A 34 12.077 10.234 5.118 1.00 0.00 C ATOM 0 H LEU A 34 10.574 9.083 8.470 1.00 0.00 H new ATOM 0 HA LEU A 34 12.964 10.343 7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.087 11.315 7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.417 12.122 6.892 1.00 0.00 H new ATOM 0 HG LEU A 34 10.580 9.272 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.496 10.190 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.744 10.801 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.853 11.839 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.895 9.616 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.345 11.243 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.894 9.807 5.699 1.00 0.00 H new ATOM 478 N PRO A 35 13.365 12.410 9.144 1.00 0.00 N ATOM 479 CA PRO A 35 13.754 13.460 10.090 1.00 0.00 C ATOM 480 C PRO A 35 12.778 14.632 10.090 1.00 0.00 C ATOM 481 O PRO A 35 11.696 14.552 9.507 1.00 0.00 O ATOM 482 CB PRO A 35 15.126 13.906 9.580 1.00 0.00 C ATOM 483 CG PRO A 35 15.117 13.572 8.128 1.00 0.00 C ATOM 484 CD PRO A 35 14.281 12.330 7.994 1.00 0.00 C ATOM 0 HA PRO A 35 13.763 13.099 11.118 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.280 14.973 9.740 1.00 0.00 H new ATOM 0 HB3 PRO A 35 15.930 13.386 10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.698 14.390 7.542 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.129 13.403 7.760 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.739 12.311 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.892 11.428 8.029 1.00 0.00 H new ATOM 492 N LYS A 36 13.167 15.720 10.745 1.00 0.00 N ATOM 493 CA LYS A 36 12.328 16.910 10.820 1.00 0.00 C ATOM 494 C LYS A 36 11.722 17.234 9.458 1.00 0.00 C ATOM 495 O LYS A 36 10.584 17.696 9.368 1.00 0.00 O ATOM 496 CB LYS A 36 13.143 18.103 11.323 1.00 0.00 C ATOM 497 CG LYS A 36 13.415 18.067 12.817 1.00 0.00 C ATOM 498 CD LYS A 36 13.880 19.418 13.332 1.00 0.00 C ATOM 499 CE LYS A 36 15.357 19.645 13.047 1.00 0.00 C ATOM 500 NZ LYS A 36 15.592 20.055 11.635 1.00 0.00 N ATOM 0 H LYS A 36 14.059 15.802 11.232 1.00 0.00 H new ATOM 0 HA LYS A 36 11.518 16.709 11.521 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.093 18.134 10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.612 19.023 11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.510 17.767 13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.174 17.314 13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.293 20.208 12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.702 19.480 14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.742 20.413 13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.912 18.731 13.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.312 20.805 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.924 19.236 11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.705 20.410 11.224 1.00 0.00 H new ATOM 514 N HIS A 37 12.488 16.987 8.400 1.00 0.00 N ATOM 515 CA HIS A 37 12.024 17.250 7.042 1.00 0.00 C ATOM 516 C HIS A 37 11.517 15.971 6.383 1.00 0.00 C ATOM 517 O HIS A 37 11.942 14.871 6.735 1.00 0.00 O ATOM 518 CB HIS A 37 13.151 17.857 6.205 1.00 0.00 C ATOM 519 CG HIS A 37 14.459 17.142 6.353 1.00 0.00 C ATOM 520 ND1 HIS A 37 15.542 17.428 7.113 1.00 0.00 N flip ATOM 521 CD2 HIS A 37 14.767 15.986 5.668 1.00 0.00 C flip ATOM 522 CE1 HIS A 37 16.475 16.448 6.876 1.00 0.00 C flip ATOM 523 NE2 HIS A 37 15.982 15.590 6.001 1.00 0.00 N flip ATOM 0 H HIS A 37 13.432 16.605 8.457 1.00 0.00 H new ATOM 0 HA HIS A 37 11.199 17.960 7.097 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.858 17.848 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.283 18.901 6.490 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.116 15.483 4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.453 16.389 7.331 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.459 14.762 5.643 1.00 0.00 H new ATOM 532 N GLN A 38 10.606 16.124 5.428 1.00 0.00 N ATOM 533 CA GLN A 38 10.040 14.981 4.722 1.00 0.00 C ATOM 534 C GLN A 38 10.781 14.728 3.413 1.00 0.00 C ATOM 535 O GLN A 38 10.388 15.225 2.358 1.00 0.00 O ATOM 536 CB GLN A 38 8.554 15.211 4.444 1.00 0.00 C ATOM 537 CG GLN A 38 7.741 15.510 5.693 1.00 0.00 C ATOM 538 CD GLN A 38 7.948 14.480 6.785 1.00 0.00 C ATOM 539 OE1 GLN A 38 8.338 14.815 7.904 1.00 0.00 O ATOM 540 NE2 GLN A 38 7.687 13.218 6.466 1.00 0.00 N ATOM 0 H GLN A 38 10.244 17.028 5.125 1.00 0.00 H new ATOM 0 HA GLN A 38 10.152 14.102 5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.448 16.040 3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.143 14.327 3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.013 16.495 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.683 15.550 5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.366 12.985 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.808 12.481 7.161 1.00 0.00 H new ATOM 549 N LYS A 39 11.858 13.952 3.489 1.00 0.00 N ATOM 550 CA LYS A 39 12.655 13.632 2.311 1.00 0.00 C ATOM 551 C LYS A 39 13.387 12.306 2.493 1.00 0.00 C ATOM 552 O LYS A 39 14.221 12.165 3.388 1.00 0.00 O ATOM 553 CB LYS A 39 13.663 14.749 2.032 1.00 0.00 C ATOM 554 CG LYS A 39 13.067 16.143 2.126 1.00 0.00 C ATOM 555 CD LYS A 39 14.136 17.216 2.006 1.00 0.00 C ATOM 556 CE LYS A 39 13.557 18.524 1.489 1.00 0.00 C ATOM 557 NZ LYS A 39 13.601 18.601 0.002 1.00 0.00 N ATOM 0 H LYS A 39 12.198 13.533 4.355 1.00 0.00 H new ATOM 0 HA LYS A 39 11.979 13.540 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.488 14.667 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.082 14.608 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.326 16.277 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.545 16.253 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.598 17.381 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.923 16.874 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.526 18.623 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.114 19.360 1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.197 19.507 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.587 18.532 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.049 17.818 -0.403 1.00 0.00 H new ATOM 571 N ILE A 40 13.071 11.339 1.639 1.00 0.00 N ATOM 572 CA ILE A 40 13.701 10.026 1.705 1.00 0.00 C ATOM 573 C ILE A 40 15.190 10.114 1.389 1.00 0.00 C ATOM 574 O ILE A 40 16.033 10.018 2.281 1.00 0.00 O ATOM 575 CB ILE A 40 13.038 9.034 0.731 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.539 8.930 1.016 1.00 0.00 C ATOM 577 CG2 ILE A 40 13.699 7.667 0.837 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.855 7.814 0.258 1.00 0.00 C ATOM 0 H ILE A 40 12.383 11.440 0.893 1.00 0.00 H new ATOM 0 HA ILE A 40 13.570 9.664 2.725 1.00 0.00 H new ATOM 0 HB ILE A 40 13.170 9.403 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.391 8.776 2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.063 9.877 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.220 6.976 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.757 7.754 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.594 7.290 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.794 7.800 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.972 7.977 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.305 6.860 0.531 1.00 0.00 H new ATOM 590 N THR A 41 15.508 10.301 0.111 1.00 0.00 N ATOM 591 CA THR A 41 16.895 10.403 -0.324 1.00 0.00 C ATOM 592 C THR A 41 17.804 9.519 0.523 1.00 0.00 C ATOM 593 O THR A 41 18.855 9.959 0.989 1.00 0.00 O ATOM 594 CB THR A 41 17.400 11.857 -0.252 1.00 0.00 C ATOM 595 OG1 THR A 41 18.797 11.906 -0.564 1.00 0.00 O ATOM 596 CG2 THR A 41 17.164 12.444 1.132 1.00 0.00 C ATOM 0 H THR A 41 14.823 10.385 -0.640 1.00 0.00 H new ATOM 0 HA THR A 41 16.927 10.065 -1.360 1.00 0.00 H new ATOM 0 HB THR A 41 16.844 12.448 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.304 11.433 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.529 13.471 1.159 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.097 12.432 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 41 17.697 11.850 1.875 1.00 0.00 H new ATOM 604 N ASP A 42 17.392 8.271 0.716 1.00 0.00 N ATOM 605 CA ASP A 42 18.171 7.323 1.506 1.00 0.00 C ATOM 606 C ASP A 42 18.463 6.059 0.704 1.00 0.00 C ATOM 607 O ASP A 42 18.798 5.017 1.268 1.00 0.00 O ATOM 608 CB ASP A 42 17.426 6.965 2.793 1.00 0.00 C ATOM 609 CG ASP A 42 17.764 7.901 3.937 1.00 0.00 C ATOM 610 OD1 ASP A 42 18.967 8.119 4.190 1.00 0.00 O ATOM 611 OD2 ASP A 42 16.825 8.416 4.578 1.00 0.00 O ATOM 0 H ASP A 42 16.524 7.892 0.337 1.00 0.00 H new ATOM 0 HA ASP A 42 19.119 7.795 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.352 6.995 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.672 5.942 3.079 1.00 0.00 H new ATOM 616 N SER A 43 18.332 6.157 -0.615 1.00 0.00 N ATOM 617 CA SER A 43 18.577 5.020 -1.495 1.00 0.00 C ATOM 618 C SER A 43 17.635 3.866 -1.165 1.00 0.00 C ATOM 619 O SER A 43 17.965 2.700 -1.382 1.00 0.00 O ATOM 620 CB SER A 43 20.030 4.558 -1.373 1.00 0.00 C ATOM 621 OG SER A 43 20.881 5.327 -2.206 1.00 0.00 O ATOM 0 H SER A 43 18.057 7.012 -1.098 1.00 0.00 H new ATOM 0 HA SER A 43 18.389 5.338 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.356 4.643 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.104 3.505 -1.645 1.00 0.00 H new ATOM 0 HG SER A 43 21.804 5.013 -2.109 1.00 0.00 H new ATOM 627 N ARG A 44 16.461 4.200 -0.640 1.00 0.00 N ATOM 628 CA ARG A 44 15.471 3.192 -0.279 1.00 0.00 C ATOM 629 C ARG A 44 14.269 3.250 -1.217 1.00 0.00 C ATOM 630 O ARG A 44 14.068 4.237 -1.925 1.00 0.00 O ATOM 631 CB ARG A 44 15.013 3.392 1.167 1.00 0.00 C ATOM 632 CG ARG A 44 14.740 4.844 1.524 1.00 0.00 C ATOM 633 CD ARG A 44 13.735 4.959 2.660 1.00 0.00 C ATOM 634 NE ARG A 44 13.952 6.159 3.464 1.00 0.00 N ATOM 635 CZ ARG A 44 13.429 6.339 4.671 1.00 0.00 C ATOM 636 NH1 ARG A 44 12.662 5.402 5.211 1.00 0.00 N ATOM 637 NH2 ARG A 44 13.673 7.458 5.341 1.00 0.00 N ATOM 0 H ARG A 44 16.172 5.161 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 44 15.937 2.211 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.108 2.809 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.776 2.999 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.672 5.331 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.362 5.370 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.725 4.975 2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.806 4.078 3.298 1.00 0.00 H new ATOM 0 HE ARG A 44 14.537 6.899 3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.473 4.540 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.261 5.543 6.138 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.263 8.181 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.271 7.595 6.268 1.00 0.00 H new ATOM 651 N TYR A 45 13.474 2.186 -1.218 1.00 0.00 N ATOM 652 CA TYR A 45 12.294 2.114 -2.071 1.00 0.00 C ATOM 653 C TYR A 45 11.103 1.545 -1.306 1.00 0.00 C ATOM 654 O TYR A 45 11.245 1.060 -0.184 1.00 0.00 O ATOM 655 CB TYR A 45 12.581 1.254 -3.303 1.00 0.00 C ATOM 656 CG TYR A 45 12.394 -0.227 -3.064 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.260 -0.932 -2.236 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.353 -0.923 -3.667 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.094 -2.286 -2.016 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.179 -2.276 -3.451 1.00 0.00 C ATOM 661 CZ TYR A 45 12.052 -2.953 -2.625 1.00 0.00 C ATOM 662 OH TYR A 45 11.882 -4.301 -2.409 1.00 0.00 O ATOM 0 H TYR A 45 13.625 1.361 -0.637 1.00 0.00 H new ATOM 0 HA TYR A 45 12.047 3.126 -2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.926 1.568 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.605 1.434 -3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.076 -0.413 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.668 -0.397 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 45 13.777 -2.819 -1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.364 -2.801 -3.926 1.00 0.00 H new ATOM 0 HH TYR A 45 11.102 -4.617 -2.911 1.00 0.00 H new ATOM 672 N TYR A 46 9.928 1.608 -1.923 1.00 0.00 N ATOM 673 CA TYR A 46 8.710 1.101 -1.301 1.00 0.00 C ATOM 674 C TYR A 46 7.981 0.140 -2.235 1.00 0.00 C ATOM 675 O TYR A 46 8.039 0.278 -3.457 1.00 0.00 O ATOM 676 CB TYR A 46 7.786 2.260 -0.921 1.00 0.00 C ATOM 677 CG TYR A 46 8.255 3.036 0.289 1.00 0.00 C ATOM 678 CD1 TYR A 46 9.353 3.884 0.212 1.00 0.00 C ATOM 679 CD2 TYR A 46 7.599 2.922 1.508 1.00 0.00 C ATOM 680 CE1 TYR A 46 9.785 4.595 1.315 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.023 3.630 2.616 1.00 0.00 C ATOM 682 CZ TYR A 46 9.117 4.465 2.515 1.00 0.00 C ATOM 683 OH TYR A 46 9.543 5.172 3.616 1.00 0.00 O ATOM 0 H TYR A 46 9.793 2.005 -2.853 1.00 0.00 H new ATOM 0 HA TYR A 46 8.992 0.559 -0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.703 2.940 -1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.787 1.869 -0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.878 3.989 -0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.743 2.269 1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.641 5.249 1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.501 3.530 3.556 1.00 0.00 H new ATOM 0 HH TYR A 46 9.208 4.742 4.430 1.00 0.00 H new ATOM 693 N THR A 47 7.294 -0.836 -1.649 1.00 0.00 N ATOM 694 CA THR A 47 6.553 -1.822 -2.426 1.00 0.00 C ATOM 695 C THR A 47 5.097 -1.894 -1.979 1.00 0.00 C ATOM 696 O THR A 47 4.809 -2.079 -0.797 1.00 0.00 O ATOM 697 CB THR A 47 7.185 -3.221 -2.307 1.00 0.00 C ATOM 698 OG1 THR A 47 8.595 -3.144 -2.543 1.00 0.00 O ATOM 699 CG2 THR A 47 6.552 -4.187 -3.297 1.00 0.00 C ATOM 0 H THR A 47 7.235 -0.965 -0.639 1.00 0.00 H new ATOM 0 HA THR A 47 6.595 -1.500 -3.467 1.00 0.00 H new ATOM 0 HB THR A 47 7.006 -3.591 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.795 -2.345 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.015 -5.169 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.484 -4.267 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.703 -3.819 -4.312 1.00 0.00 H new ATOM 707 N VAL A 48 4.182 -1.747 -2.932 1.00 0.00 N ATOM 708 CA VAL A 48 2.756 -1.797 -2.636 1.00 0.00 C ATOM 709 C VAL A 48 2.110 -3.035 -3.249 1.00 0.00 C ATOM 710 O VAL A 48 2.115 -3.210 -4.468 1.00 0.00 O ATOM 711 CB VAL A 48 2.030 -0.542 -3.156 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.563 -0.569 -2.755 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.709 0.718 -2.640 1.00 0.00 C ATOM 0 H VAL A 48 4.403 -1.592 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 48 2.660 -1.840 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 48 2.084 -0.537 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.066 0.325 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.086 -1.453 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.483 -0.598 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.183 1.595 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.687 0.723 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.744 0.740 -2.983 1.00 0.00 H new ATOM 723 N ARG A 49 1.556 -3.891 -2.397 1.00 0.00 N ATOM 724 CA ARG A 49 0.907 -5.113 -2.855 1.00 0.00 C ATOM 725 C ARG A 49 -0.606 -5.024 -2.679 1.00 0.00 C ATOM 726 O ARG A 49 -1.103 -4.219 -1.891 1.00 0.00 O ATOM 727 CB ARG A 49 1.450 -6.321 -2.091 1.00 0.00 C ATOM 728 CG ARG A 49 1.149 -6.286 -0.601 1.00 0.00 C ATOM 729 CD ARG A 49 1.487 -7.609 0.067 1.00 0.00 C ATOM 730 NE ARG A 49 2.789 -8.119 -0.355 1.00 0.00 N ATOM 731 CZ ARG A 49 3.212 -9.353 -0.104 1.00 0.00 C ATOM 732 NH1 ARG A 49 2.440 -10.198 0.565 1.00 0.00 N ATOM 733 NH2 ARG A 49 4.410 -9.743 -0.521 1.00 0.00 N ATOM 0 H ARG A 49 1.544 -3.761 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 49 1.125 -5.235 -3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.026 -7.230 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.529 -6.375 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.720 -5.484 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.094 -6.059 -0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.482 -7.480 1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.716 -8.342 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 49 3.408 -7.493 -0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.519 -9.901 0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.767 -11.145 0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.007 -9.095 -1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.734 -10.691 -0.328 1.00 0.00 H new ATOM 747 N TRP A 50 -1.332 -5.856 -3.416 1.00 0.00 N ATOM 748 CA TRP A 50 -2.789 -5.871 -3.342 1.00 0.00 C ATOM 749 C TRP A 50 -3.358 -7.090 -4.058 1.00 0.00 C ATOM 750 O TRP A 50 -2.813 -7.543 -5.065 1.00 0.00 O ATOM 751 CB TRP A 50 -3.365 -4.591 -3.951 1.00 0.00 C ATOM 752 CG TRP A 50 -3.238 -4.534 -5.443 1.00 0.00 C ATOM 753 CD1 TRP A 50 -4.206 -4.831 -6.359 1.00 0.00 C ATOM 754 CD2 TRP A 50 -2.076 -4.159 -6.191 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.715 -4.663 -7.632 1.00 0.00 N ATOM 756 CE2 TRP A 50 -2.412 -4.251 -7.556 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.786 -3.753 -5.840 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -1.502 -3.952 -8.567 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.116 -3.457 -6.845 1.00 0.00 C ATOM 760 CH2 TRP A 50 -0.246 -3.557 -8.195 1.00 0.00 C ATOM 0 H TRP A 50 -0.936 -6.529 -4.072 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.074 -5.925 -2.291 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.418 -4.510 -3.680 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.857 -3.730 -3.517 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -5.209 -5.151 -6.119 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.237 -4.820 -8.494 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.499 -3.672 -4.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.778 -4.029 -9.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.116 -3.143 -6.585 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.481 -3.318 -8.957 1.00 0.00 H new ATOM 771 N LYS A 51 -4.459 -7.619 -3.534 1.00 0.00 N ATOM 772 CA LYS A 51 -5.104 -8.786 -4.124 1.00 0.00 C ATOM 773 C LYS A 51 -6.622 -8.673 -4.032 1.00 0.00 C ATOM 774 O LYS A 51 -7.151 -7.752 -3.408 1.00 0.00 O ATOM 775 CB LYS A 51 -4.634 -10.063 -3.424 1.00 0.00 C ATOM 776 CG LYS A 51 -5.449 -10.417 -2.192 1.00 0.00 C ATOM 777 CD LYS A 51 -5.095 -11.798 -1.668 1.00 0.00 C ATOM 778 CE LYS A 51 -6.093 -12.270 -0.621 1.00 0.00 C ATOM 779 NZ LYS A 51 -5.687 -11.867 0.754 1.00 0.00 N ATOM 0 H LYS A 51 -4.923 -7.257 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.823 -8.832 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.680 -10.892 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.589 -9.946 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.273 -9.675 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.511 -10.380 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.071 -12.507 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.094 -11.779 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.077 -11.857 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.184 -13.355 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.884 -12.644 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.670 -11.651 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.223 -11.023 1.041 1.00 0.00 H new ATOM 793 N THR A 52 -7.321 -9.616 -4.656 1.00 0.00 N ATOM 794 CA THR A 52 -8.778 -9.623 -4.644 1.00 0.00 C ATOM 795 C THR A 52 -9.316 -10.798 -3.836 1.00 0.00 C ATOM 796 O THR A 52 -9.029 -11.955 -4.140 1.00 0.00 O ATOM 797 CB THR A 52 -9.351 -9.691 -6.072 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.919 -10.894 -6.717 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.912 -8.486 -6.889 1.00 0.00 C ATOM 0 H THR A 52 -6.900 -10.386 -5.177 1.00 0.00 H new ATOM 0 HA THR A 52 -9.095 -8.690 -4.177 1.00 0.00 H new ATOM 0 HB THR A 52 -10.439 -9.687 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.810 -11.602 -6.049 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.329 -8.556 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.268 -7.573 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.824 -8.464 -6.948 1.00 0.00 H new ATOM 807 N ASN A 53 -10.099 -10.493 -2.806 1.00 0.00 N ATOM 808 CA ASN A 53 -10.678 -11.526 -1.954 1.00 0.00 C ATOM 809 C ASN A 53 -11.338 -12.616 -2.793 1.00 0.00 C ATOM 810 O ASN A 53 -11.415 -13.772 -2.377 1.00 0.00 O ATOM 811 CB ASN A 53 -11.701 -10.912 -0.997 1.00 0.00 C ATOM 812 CG ASN A 53 -12.039 -11.835 0.158 1.00 0.00 C ATOM 813 OD1 ASN A 53 -13.111 -12.440 0.190 1.00 0.00 O ATOM 814 ND2 ASN A 53 -11.123 -11.947 1.113 1.00 0.00 N ATOM 0 H ASN A 53 -10.347 -9.540 -2.541 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.873 -11.977 -1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.310 -9.973 -0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.612 -10.674 -1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.294 -12.554 1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.249 -11.426 1.045 1.00 0.00 H new ATOM 821 N ILE A 54 -11.813 -12.239 -3.975 1.00 0.00 N ATOM 822 CA ILE A 54 -12.466 -13.184 -4.873 1.00 0.00 C ATOM 823 C ILE A 54 -11.865 -13.117 -6.273 1.00 0.00 C ATOM 824 O ILE A 54 -11.839 -12.067 -6.915 1.00 0.00 O ATOM 825 CB ILE A 54 -13.980 -12.921 -4.963 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.596 -12.874 -3.563 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.654 -13.991 -5.809 1.00 0.00 C ATOM 828 CD1 ILE A 54 -14.603 -14.214 -2.861 1.00 0.00 C ATOM 0 H ILE A 54 -11.758 -11.286 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.303 -14.178 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.138 -11.954 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.043 -12.157 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.619 -12.506 -3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.724 -13.791 -5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.231 -13.980 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.490 -14.969 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.054 -14.106 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.180 -14.929 -3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.580 -14.574 -2.755 1.00 0.00 H new ATOM 840 N PRO A 55 -11.371 -14.265 -6.760 1.00 0.00 N ATOM 841 CA PRO A 55 -11.395 -15.521 -6.005 1.00 0.00 C ATOM 842 C PRO A 55 -10.441 -15.501 -4.816 1.00 0.00 C ATOM 843 O PRO A 55 -9.982 -14.440 -4.393 1.00 0.00 O ATOM 844 CB PRO A 55 -10.946 -16.562 -7.033 1.00 0.00 C ATOM 845 CG PRO A 55 -10.134 -15.795 -8.019 1.00 0.00 C ATOM 846 CD PRO A 55 -10.750 -14.425 -8.086 1.00 0.00 C ATOM 0 HA PRO A 55 -12.378 -15.720 -5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.358 -17.352 -6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.801 -17.041 -7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.091 -15.739 -7.707 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.149 -16.278 -8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.001 -13.656 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.487 -14.354 -8.886 1.00 0.00 H new ATOM 854 N ALA A 56 -10.146 -16.681 -4.280 1.00 0.00 N ATOM 855 CA ALA A 56 -9.244 -16.799 -3.141 1.00 0.00 C ATOM 856 C ALA A 56 -7.875 -17.310 -3.575 1.00 0.00 C ATOM 857 O ALA A 56 -6.863 -17.018 -2.940 1.00 0.00 O ATOM 858 CB ALA A 56 -9.843 -17.718 -2.086 1.00 0.00 C ATOM 0 H ALA A 56 -10.519 -17.569 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.112 -15.807 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.159 -17.797 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.794 -17.309 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.006 -18.707 -2.515 1.00 0.00 H new ATOM 864 N ASN A 57 -7.851 -18.076 -4.662 1.00 0.00 N ATOM 865 CA ASN A 57 -6.606 -18.629 -5.180 1.00 0.00 C ATOM 866 C ASN A 57 -6.024 -17.733 -6.270 1.00 0.00 C ATOM 867 O ASN A 57 -6.242 -17.963 -7.460 1.00 0.00 O ATOM 868 CB ASN A 57 -6.839 -20.037 -5.732 1.00 0.00 C ATOM 869 CG ASN A 57 -6.712 -21.105 -4.664 1.00 0.00 C ATOM 870 OD1 ASN A 57 -6.056 -20.902 -3.642 1.00 0.00 O ATOM 871 ND2 ASN A 57 -7.340 -22.252 -4.896 1.00 0.00 N ATOM 0 H ASN A 57 -8.680 -18.327 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.892 -18.682 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.832 -20.090 -6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.121 -20.236 -6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.290 -23.008 -4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.873 -22.377 -5.757 1.00 0.00 H new ATOM 878 N THR A 58 -5.283 -16.711 -5.855 1.00 0.00 N ATOM 879 CA THR A 58 -4.670 -15.780 -6.794 1.00 0.00 C ATOM 880 C THR A 58 -3.299 -15.328 -6.305 1.00 0.00 C ATOM 881 O THR A 58 -3.115 -15.036 -5.123 1.00 0.00 O ATOM 882 CB THR A 58 -5.558 -14.541 -7.017 1.00 0.00 C ATOM 883 OG1 THR A 58 -6.924 -14.939 -7.173 1.00 0.00 O ATOM 884 CG2 THR A 58 -5.107 -13.766 -8.245 1.00 0.00 C ATOM 0 H THR A 58 -5.093 -16.507 -4.874 1.00 0.00 H new ATOM 0 HA THR A 58 -4.558 -16.312 -7.739 1.00 0.00 H new ATOM 0 HB THR A 58 -5.466 -13.894 -6.145 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.482 -14.146 -7.313 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.749 -12.896 -8.382 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.076 -13.439 -8.110 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.172 -14.407 -9.124 1.00 0.00 H new ATOM 892 N LYS A 59 -2.339 -15.271 -7.221 1.00 0.00 N ATOM 893 CA LYS A 59 -0.983 -14.852 -6.885 1.00 0.00 C ATOM 894 C LYS A 59 -0.942 -13.365 -6.547 1.00 0.00 C ATOM 895 O LYS A 59 -0.954 -12.515 -7.438 1.00 0.00 O ATOM 896 CB LYS A 59 -0.032 -15.148 -8.046 1.00 0.00 C ATOM 897 CG LYS A 59 -0.058 -16.598 -8.499 1.00 0.00 C ATOM 898 CD LYS A 59 0.596 -17.513 -7.478 1.00 0.00 C ATOM 899 CE LYS A 59 0.274 -18.974 -7.751 1.00 0.00 C ATOM 900 NZ LYS A 59 1.355 -19.879 -7.273 1.00 0.00 N ATOM 0 H LYS A 59 -2.475 -15.510 -8.203 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.662 -15.416 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.291 -14.508 -8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.984 -14.887 -7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.089 -16.911 -8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.457 -16.691 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.676 -17.368 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.256 -17.245 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.663 -19.237 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.125 -19.119 -8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.098 -20.866 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.244 -19.645 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.480 -19.759 -6.247 1.00 0.00 H new ATOM 914 N TYR A 60 -0.891 -13.058 -5.255 1.00 0.00 N ATOM 915 CA TYR A 60 -0.848 -11.673 -4.800 1.00 0.00 C ATOM 916 C TYR A 60 -0.069 -10.801 -5.780 1.00 0.00 C ATOM 917 O TYR A 60 0.930 -11.233 -6.356 1.00 0.00 O ATOM 918 CB TYR A 60 -0.214 -11.590 -3.411 1.00 0.00 C ATOM 919 CG TYR A 60 -0.879 -10.582 -2.501 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.520 -9.240 -2.539 1.00 0.00 C ATOM 921 CD2 TYR A 60 -1.864 -10.972 -1.602 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.124 -8.316 -1.709 1.00 0.00 C ATOM 923 CE2 TYR A 60 -2.474 -10.054 -0.769 1.00 0.00 C ATOM 924 CZ TYR A 60 -2.101 -8.727 -0.826 1.00 0.00 C ATOM 925 OH TYR A 60 -2.706 -7.810 0.002 1.00 0.00 O ATOM 0 H TYR A 60 -0.878 -13.749 -4.505 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.872 -11.303 -4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.256 -12.573 -2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.840 -11.332 -3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.244 -8.914 -3.229 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.158 -12.010 -1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.833 -7.277 -1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.239 -10.374 -0.077 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.426 -8.247 0.503 1.00 0.00 H new ATOM 935 N LYS A 61 -0.533 -9.570 -5.964 1.00 0.00 N ATOM 936 CA LYS A 61 0.120 -8.634 -6.872 1.00 0.00 C ATOM 937 C LYS A 61 1.041 -7.688 -6.108 1.00 0.00 C ATOM 938 O LYS A 61 0.947 -7.565 -4.888 1.00 0.00 O ATOM 939 CB LYS A 61 -0.927 -7.829 -7.646 1.00 0.00 C ATOM 940 CG LYS A 61 -1.561 -8.598 -8.792 1.00 0.00 C ATOM 941 CD LYS A 61 -2.175 -7.662 -9.819 1.00 0.00 C ATOM 942 CE LYS A 61 -1.143 -7.190 -10.831 1.00 0.00 C ATOM 943 NZ LYS A 61 -1.742 -6.294 -11.859 1.00 0.00 N ATOM 0 H LYS A 61 -1.359 -9.197 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 61 0.722 -9.209 -7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.709 -7.509 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.461 -6.926 -8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.808 -9.223 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.329 -9.266 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.987 -8.171 -10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.610 -6.800 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.341 -6.663 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.693 -8.054 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.006 -5.994 -12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.490 -6.804 -12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.149 -5.457 -11.395 1.00 0.00 H new ATOM 957 N ASN A 62 1.932 -7.021 -6.836 1.00 0.00 N ATOM 958 CA ASN A 62 2.870 -6.086 -6.227 1.00 0.00 C ATOM 959 C ASN A 62 3.397 -5.094 -7.259 1.00 0.00 C ATOM 960 O ASN A 62 3.562 -5.431 -8.431 1.00 0.00 O ATOM 961 CB ASN A 62 4.036 -6.843 -5.589 1.00 0.00 C ATOM 962 CG ASN A 62 4.579 -7.934 -6.492 1.00 0.00 C ATOM 963 OD1 ASN A 62 4.739 -7.736 -7.696 1.00 0.00 O ATOM 964 ND2 ASN A 62 4.866 -9.094 -5.912 1.00 0.00 N ATOM 0 H ASN A 62 2.023 -7.111 -7.848 1.00 0.00 H new ATOM 0 HA ASN A 62 2.340 -5.531 -5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.835 -6.141 -5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.708 -7.284 -4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.235 -9.865 -6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.717 -9.214 -4.910 1.00 0.00 H new ATOM 971 N ALA A 63 3.660 -3.869 -6.815 1.00 0.00 N ATOM 972 CA ALA A 63 4.170 -2.829 -7.699 1.00 0.00 C ATOM 973 C ALA A 63 5.429 -2.189 -7.124 1.00 0.00 C ATOM 974 O ALA A 63 5.821 -2.475 -5.994 1.00 0.00 O ATOM 975 CB ALA A 63 3.103 -1.772 -7.942 1.00 0.00 C ATOM 0 H ALA A 63 3.528 -3.573 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 63 4.431 -3.292 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.498 -1.002 -8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.231 -2.235 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.814 -1.321 -6.992 1.00 0.00 H new ATOM 981 N ASN A 64 6.059 -1.322 -7.910 1.00 0.00 N ATOM 982 CA ASN A 64 7.275 -0.643 -7.479 1.00 0.00 C ATOM 983 C ASN A 64 7.124 0.871 -7.597 1.00 0.00 C ATOM 984 O ASN A 64 6.817 1.393 -8.668 1.00 0.00 O ATOM 985 CB ASN A 64 8.470 -1.113 -8.312 1.00 0.00 C ATOM 986 CG ASN A 64 8.500 -2.620 -8.480 1.00 0.00 C ATOM 987 OD1 ASN A 64 8.273 -3.367 -7.527 1.00 0.00 O ATOM 988 ND2 ASN A 64 8.781 -3.074 -9.695 1.00 0.00 N ATOM 0 H ASN A 64 5.747 -1.073 -8.849 1.00 0.00 H new ATOM 0 HA ASN A 64 7.449 -0.893 -6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.433 -0.641 -9.294 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.394 -0.785 -7.835 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.816 -4.079 -9.869 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.962 -2.418 -10.455 1.00 0.00 H new ATOM 995 N ALA A 65 7.342 1.570 -6.488 1.00 0.00 N ATOM 996 CA ALA A 65 7.233 3.023 -6.467 1.00 0.00 C ATOM 997 C ALA A 65 7.937 3.609 -5.247 1.00 0.00 C ATOM 998 O ALA A 65 7.542 3.357 -4.108 1.00 0.00 O ATOM 999 CB ALA A 65 5.770 3.442 -6.487 1.00 0.00 C ATOM 0 H ALA A 65 7.595 1.153 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 65 7.724 3.413 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.703 4.530 -6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.295 3.062 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.263 3.034 -5.613 1.00 0.00 H new ATOM 1005 N THR A 66 8.982 4.392 -5.493 1.00 0.00 N ATOM 1006 CA THR A 66 9.742 5.013 -4.415 1.00 0.00 C ATOM 1007 C THR A 66 9.152 6.365 -4.034 1.00 0.00 C ATOM 1008 O THR A 66 9.434 7.380 -4.671 1.00 0.00 O ATOM 1009 CB THR A 66 11.220 5.202 -4.807 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.323 6.116 -5.904 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.854 3.873 -5.187 1.00 0.00 C ATOM 0 H THR A 66 9.322 4.611 -6.429 1.00 0.00 H new ATOM 0 HA THR A 66 9.684 4.341 -3.559 1.00 0.00 H new ATOM 0 HB THR A 66 11.752 5.607 -3.946 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.833 6.938 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.897 4.032 -5.460 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.801 3.189 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.319 3.444 -6.034 1.00 0.00 H new ATOM 1019 N THR A 67 8.330 6.374 -2.989 1.00 0.00 N ATOM 1020 CA THR A 67 7.699 7.602 -2.522 1.00 0.00 C ATOM 1021 C THR A 67 6.907 7.362 -1.242 1.00 0.00 C ATOM 1022 O THR A 67 6.899 6.254 -0.704 1.00 0.00 O ATOM 1023 CB THR A 67 6.760 8.192 -3.591 1.00 0.00 C ATOM 1024 OG1 THR A 67 6.101 9.355 -3.077 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.723 7.167 -4.026 1.00 0.00 C ATOM 0 H THR A 67 8.086 5.543 -2.450 1.00 0.00 H new ATOM 0 HA THR A 67 8.501 8.312 -2.321 1.00 0.00 H new ATOM 0 HB THR A 67 7.361 8.468 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.768 10.039 -2.858 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.071 7.607 -4.781 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.226 6.295 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.127 6.864 -3.165 1.00 0.00 H new ATOM 1033 N LEU A 68 6.242 8.405 -0.759 1.00 0.00 N ATOM 1034 CA LEU A 68 5.445 8.308 0.459 1.00 0.00 C ATOM 1035 C LEU A 68 3.959 8.203 0.130 1.00 0.00 C ATOM 1036 O LEU A 68 3.106 8.486 0.971 1.00 0.00 O ATOM 1037 CB LEU A 68 5.697 9.521 1.355 1.00 0.00 C ATOM 1038 CG LEU A 68 6.959 9.468 2.217 1.00 0.00 C ATOM 1039 CD1 LEU A 68 7.499 10.869 2.460 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.674 8.768 3.538 1.00 0.00 C ATOM 0 H LEU A 68 6.239 9.328 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 68 5.745 7.404 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.749 10.409 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.837 9.647 2.013 1.00 0.00 H new ATOM 0 HG LEU A 68 7.717 8.896 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.397 10.811 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.742 11.336 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.745 11.465 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.583 8.740 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.899 9.312 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.335 7.750 3.345 1.00 0.00 H new ATOM 1052 N SER A 69 3.657 7.795 -1.098 1.00 0.00 N ATOM 1053 CA SER A 69 2.274 7.654 -1.539 1.00 0.00 C ATOM 1054 C SER A 69 2.174 6.690 -2.716 1.00 0.00 C ATOM 1055 O SER A 69 3.175 6.125 -3.158 1.00 0.00 O ATOM 1056 CB SER A 69 1.701 9.017 -1.931 1.00 0.00 C ATOM 1057 OG SER A 69 2.173 9.421 -3.205 1.00 0.00 O ATOM 0 H SER A 69 4.352 7.556 -1.806 1.00 0.00 H new ATOM 0 HA SER A 69 1.694 7.248 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.612 8.968 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.979 9.760 -1.184 1.00 0.00 H new ATOM 0 HG SER A 69 1.791 10.294 -3.434 1.00 0.00 H new ATOM 1063 N TYR A 70 0.959 6.505 -3.220 1.00 0.00 N ATOM 1064 CA TYR A 70 0.726 5.607 -4.345 1.00 0.00 C ATOM 1065 C TYR A 70 -0.717 5.706 -4.831 1.00 0.00 C ATOM 1066 O TYR A 70 -1.637 5.925 -4.043 1.00 0.00 O ATOM 1067 CB TYR A 70 1.044 4.165 -3.947 1.00 0.00 C ATOM 1068 CG TYR A 70 1.096 3.211 -5.119 1.00 0.00 C ATOM 1069 CD1 TYR A 70 -0.054 2.888 -5.829 1.00 0.00 C ATOM 1070 CD2 TYR A 70 2.295 2.633 -5.517 1.00 0.00 C ATOM 1071 CE1 TYR A 70 -0.011 2.016 -6.900 1.00 0.00 C ATOM 1072 CE2 TYR A 70 2.348 1.761 -6.587 1.00 0.00 C ATOM 1073 CZ TYR A 70 1.192 1.456 -7.276 1.00 0.00 C ATOM 1074 OH TYR A 70 1.240 0.588 -8.342 1.00 0.00 O ATOM 0 H TYR A 70 0.120 6.965 -2.867 1.00 0.00 H new ATOM 0 HA TYR A 70 1.386 5.906 -5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.003 4.143 -3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.291 3.818 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.998 3.326 -5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.202 2.870 -4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.915 1.774 -7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.289 1.321 -6.883 1.00 0.00 H new ATOM 0 HH TYR A 70 2.116 0.652 -8.777 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.906 5.543 -6.136 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.237 5.613 -6.730 1.00 0.00 C ATOM 1086 C LEU A 71 -2.554 4.338 -7.506 1.00 0.00 C ATOM 1087 O LEU A 71 -2.070 4.140 -8.620 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.340 6.826 -7.657 1.00 0.00 C ATOM 1089 CG LEU A 71 -2.811 8.128 -7.008 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -2.328 9.328 -7.808 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.327 8.143 -6.883 1.00 0.00 C ATOM 0 H LEU A 71 -0.155 5.362 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.963 5.717 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.362 7.000 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.024 6.580 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.383 8.189 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.673 10.246 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.239 9.326 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.726 9.274 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.645 9.077 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.775 8.059 -7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.650 7.304 -6.267 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.373 3.478 -6.909 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.758 2.223 -7.544 1.00 0.00 C ATOM 1105 C VAL A 72 -4.908 2.434 -8.523 1.00 0.00 C ATOM 1106 O VAL A 72 -6.004 2.841 -8.134 1.00 0.00 O ATOM 1107 CB VAL A 72 -4.174 1.170 -6.501 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -4.387 -0.183 -7.163 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -3.132 1.074 -5.397 1.00 0.00 C ATOM 0 H VAL A 72 -3.783 3.627 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.884 1.861 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.118 1.481 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.680 -0.914 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.172 -0.101 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.461 -0.505 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.442 0.325 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.172 0.787 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.034 2.041 -4.904 1.00 0.00 H new ATOM 1119 N THR A 73 -4.652 2.154 -9.798 1.00 0.00 N ATOM 1120 CA THR A 73 -5.665 2.313 -10.833 1.00 0.00 C ATOM 1121 C THR A 73 -5.958 0.986 -11.524 1.00 0.00 C ATOM 1122 O THR A 73 -5.136 0.070 -11.506 1.00 0.00 O ATOM 1123 CB THR A 73 -5.229 3.344 -11.891 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.927 3.016 -12.389 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.215 4.748 -11.305 1.00 0.00 C ATOM 0 H THR A 73 -3.751 1.816 -10.138 1.00 0.00 H new ATOM 0 HA THR A 73 -6.569 2.670 -10.339 1.00 0.00 H new ATOM 0 HB THR A 73 -5.948 3.316 -12.710 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.659 3.676 -13.062 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.904 5.459 -12.071 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.214 5.006 -10.955 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.516 4.786 -10.469 1.00 0.00 H new ATOM 1133 N GLY A 74 -7.136 0.889 -12.134 1.00 0.00 N ATOM 1134 CA GLY A 74 -7.516 -0.331 -12.823 1.00 0.00 C ATOM 1135 C GLY A 74 -8.102 -1.368 -11.886 1.00 0.00 C ATOM 1136 O GLY A 74 -7.652 -2.514 -11.857 1.00 0.00 O ATOM 0 H GLY A 74 -7.833 1.633 -12.163 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.244 -0.095 -13.599 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.642 -0.750 -13.322 1.00 0.00 H new ATOM 1140 N LEU A 75 -9.107 -0.966 -11.116 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.755 -1.869 -10.171 1.00 0.00 C ATOM 1142 C LEU A 75 -11.241 -2.010 -10.485 1.00 0.00 C ATOM 1143 O LEU A 75 -11.786 -1.273 -11.308 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.571 -1.360 -8.741 1.00 0.00 C ATOM 1145 CG LEU A 75 -8.150 -0.945 -8.354 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.181 0.091 -7.242 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -7.337 -2.160 -7.931 1.00 0.00 C ATOM 0 H LEU A 75 -9.491 -0.021 -11.127 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.288 -2.849 -10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.231 -0.505 -8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.900 -2.139 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.672 -0.498 -9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.162 0.374 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.727 0.972 -7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.677 -0.329 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.329 -1.847 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.813 -2.636 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.286 -2.869 -8.757 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.893 -2.960 -9.823 1.00 0.00 N ATOM 1160 CA LYS A 76 -13.317 -3.197 -10.027 1.00 0.00 C ATOM 1161 C LYS A 76 -14.147 -2.459 -8.981 1.00 0.00 C ATOM 1162 O LYS A 76 -13.718 -2.255 -7.845 1.00 0.00 O ATOM 1163 CB LYS A 76 -13.619 -4.696 -9.970 1.00 0.00 C ATOM 1164 CG LYS A 76 -13.339 -5.423 -11.273 1.00 0.00 C ATOM 1165 CD LYS A 76 -11.855 -5.698 -11.451 1.00 0.00 C ATOM 1166 CE LYS A 76 -11.594 -6.603 -12.645 1.00 0.00 C ATOM 1167 NZ LYS A 76 -10.138 -6.808 -12.878 1.00 0.00 N ATOM 0 H LYS A 76 -11.457 -3.579 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.586 -2.816 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.024 -5.148 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.666 -4.837 -9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.889 -6.364 -11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.702 -4.826 -12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.323 -4.756 -11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.459 -6.163 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.075 -7.567 -12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.047 -6.168 -13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.002 -7.430 -13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.683 -5.891 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.710 -7.247 -12.038 1.00 0.00 H new ATOM 1181 N PRO A 77 -15.364 -2.052 -9.370 1.00 0.00 N ATOM 1182 CA PRO A 77 -16.280 -1.333 -8.479 1.00 0.00 C ATOM 1183 C PRO A 77 -16.825 -2.223 -7.368 1.00 0.00 C ATOM 1184 O PRO A 77 -16.924 -3.439 -7.526 1.00 0.00 O ATOM 1185 CB PRO A 77 -17.409 -0.891 -9.413 1.00 0.00 C ATOM 1186 CG PRO A 77 -17.383 -1.875 -10.532 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.940 -2.262 -10.709 1.00 0.00 C ATOM 0 HA PRO A 77 -15.786 -0.508 -7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.372 -0.899 -8.902 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.248 0.124 -9.775 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.995 -2.746 -10.300 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.785 -1.438 -11.446 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.839 -3.298 -11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -15.447 -1.644 -11.460 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.179 -1.608 -6.243 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.714 -2.346 -5.105 1.00 0.00 C ATOM 1197 C ASN A 78 -17.005 -3.687 -4.943 1.00 0.00 C ATOM 1198 O ASN A 78 -17.630 -4.699 -4.623 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.218 -2.570 -5.278 1.00 0.00 C ATOM 1200 CG ASN A 78 -19.890 -3.000 -3.988 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -20.127 -2.185 -3.096 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.201 -4.287 -3.885 1.00 0.00 N ATOM 0 H ASN A 78 -17.105 -0.601 -6.096 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.542 -1.753 -4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.681 -1.651 -5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.384 -3.330 -6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -20.655 -4.636 -3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -19.986 -4.927 -4.650 1.00 0.00 H new ATOM 1209 N THR A 79 -15.694 -3.688 -5.166 1.00 0.00 N ATOM 1210 CA THR A 79 -14.899 -4.903 -5.046 1.00 0.00 C ATOM 1211 C THR A 79 -13.854 -4.770 -3.944 1.00 0.00 C ATOM 1212 O THR A 79 -13.020 -3.864 -3.971 1.00 0.00 O ATOM 1213 CB THR A 79 -14.191 -5.245 -6.370 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.147 -5.309 -7.435 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.454 -6.571 -6.264 1.00 0.00 C ATOM 0 H THR A 79 -15.161 -2.860 -5.431 1.00 0.00 H new ATOM 0 HA THR A 79 -15.589 -5.708 -4.793 1.00 0.00 H new ATOM 0 HB THR A 79 -13.465 -4.460 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.504 -4.413 -7.608 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.962 -6.791 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.707 -6.510 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.164 -7.364 -6.031 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.904 -5.677 -2.975 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.960 -5.662 -1.863 1.00 0.00 C ATOM 1225 C LEU A 80 -11.522 -5.706 -2.368 1.00 0.00 C ATOM 1226 O LEU A 80 -11.162 -6.566 -3.172 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.222 -6.845 -0.930 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.700 -6.701 0.500 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.187 -6.550 0.504 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.358 -5.514 1.190 1.00 0.00 C ATOM 0 H LEU A 80 -14.588 -6.432 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.102 -4.733 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.298 -7.017 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.774 -7.736 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.955 -7.605 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.834 -6.449 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.732 -7.430 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.908 -5.663 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.975 -5.426 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.133 -4.602 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.437 -5.663 1.220 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.704 -4.775 -1.890 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.304 -4.707 -2.294 1.00 0.00 C ATOM 1244 C TYR A 81 -8.400 -4.475 -1.088 1.00 0.00 C ATOM 1245 O TYR A 81 -8.751 -3.735 -0.169 1.00 0.00 O ATOM 1246 CB TYR A 81 -9.101 -3.591 -3.320 1.00 0.00 C ATOM 1247 CG TYR A 81 -9.439 -4.002 -4.736 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -8.632 -4.892 -5.434 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.565 -3.499 -5.376 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.937 -5.269 -6.727 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.878 -3.871 -6.669 1.00 0.00 C ATOM 1252 CZ TYR A 81 -10.061 -4.756 -7.340 1.00 0.00 C ATOM 1253 OH TYR A 81 -10.369 -5.129 -8.629 1.00 0.00 O ATOM 0 H TYR A 81 -10.986 -4.057 -1.223 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.036 -5.661 -2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.717 -2.736 -3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.063 -3.260 -3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.751 -5.296 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.207 -2.805 -4.853 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.299 -5.962 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.758 -3.471 -7.151 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.042 -6.038 -8.794 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.234 -5.113 -1.099 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.278 -4.976 -0.006 1.00 0.00 C ATOM 1265 C GLU A 82 -5.116 -4.072 -0.409 1.00 0.00 C ATOM 1266 O GLU A 82 -4.703 -4.053 -1.568 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.749 -6.349 0.414 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.698 -7.115 1.320 1.00 0.00 C ATOM 1269 CD GLU A 82 -6.316 -8.576 1.463 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -5.189 -8.851 1.925 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -7.144 -9.443 1.113 1.00 0.00 O ATOM 0 H GLU A 82 -6.929 -5.729 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.794 -4.520 0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.554 -6.943 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.795 -6.221 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.710 -6.648 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.710 -7.045 0.922 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.593 -3.324 0.557 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.480 -2.417 0.304 1.00 0.00 C ATOM 1280 C PHE A 83 -2.467 -2.467 1.445 1.00 0.00 C ATOM 1281 O PHE A 83 -2.837 -2.442 2.619 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.991 -0.986 0.124 1.00 0.00 C ATOM 1283 CG PHE A 83 -5.073 -0.862 -0.911 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.874 -1.330 -2.200 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.289 -0.279 -0.594 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.868 -1.216 -3.153 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.287 -0.163 -1.543 1.00 0.00 C ATOM 1288 CZ PHE A 83 -7.076 -0.633 -2.825 1.00 0.00 C ATOM 0 H PHE A 83 -4.922 -3.328 1.522 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.985 -2.737 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.369 -0.621 1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.156 -0.343 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.932 -1.789 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.459 0.089 0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.700 -1.583 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.230 0.294 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.854 -0.545 -3.569 1.00 0.00 H new ATOM 1298 N SER A 84 -1.189 -2.540 1.089 1.00 0.00 N ATOM 1299 CA SER A 84 -0.122 -2.598 2.082 1.00 0.00 C ATOM 1300 C SER A 84 1.138 -1.910 1.567 1.00 0.00 C ATOM 1301 O SER A 84 1.386 -1.864 0.361 1.00 0.00 O ATOM 1302 CB SER A 84 0.189 -4.052 2.443 1.00 0.00 C ATOM 1303 OG SER A 84 0.752 -4.146 3.740 1.00 0.00 O ATOM 0 H SER A 84 -0.867 -2.560 0.121 1.00 0.00 H new ATOM 0 HA SER A 84 -0.462 -2.074 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.724 -4.645 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.880 -4.472 1.712 1.00 0.00 H new ATOM 0 HG SER A 84 0.077 -3.904 4.408 1.00 0.00 H new ATOM 1309 N VAL A 85 1.932 -1.375 2.489 1.00 0.00 N ATOM 1310 CA VAL A 85 3.168 -0.689 2.129 1.00 0.00 C ATOM 1311 C VAL A 85 4.318 -1.120 3.032 1.00 0.00 C ATOM 1312 O VAL A 85 4.165 -1.208 4.250 1.00 0.00 O ATOM 1313 CB VAL A 85 3.007 0.840 2.216 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.235 1.539 1.654 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.749 1.285 1.486 1.00 0.00 C ATOM 0 H VAL A 85 1.742 -1.403 3.491 1.00 0.00 H new ATOM 0 HA VAL A 85 3.395 -0.965 1.099 1.00 0.00 H new ATOM 0 HB VAL A 85 2.909 1.119 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.103 2.619 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.115 1.243 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.368 1.257 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.651 2.368 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.815 0.995 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.878 0.811 1.939 1.00 0.00 H new ATOM 1325 N MET A 86 5.470 -1.387 2.426 1.00 0.00 N ATOM 1326 CA MET A 86 6.648 -1.808 3.176 1.00 0.00 C ATOM 1327 C MET A 86 7.871 -0.991 2.771 1.00 0.00 C ATOM 1328 O MET A 86 7.881 -0.349 1.721 1.00 0.00 O ATOM 1329 CB MET A 86 6.918 -3.297 2.951 1.00 0.00 C ATOM 1330 CG MET A 86 7.730 -3.585 1.699 1.00 0.00 C ATOM 1331 SD MET A 86 9.507 -3.474 1.984 1.00 0.00 S ATOM 1332 CE MET A 86 9.803 -4.998 2.877 1.00 0.00 C ATOM 0 H MET A 86 5.613 -1.319 1.418 1.00 0.00 H new ATOM 0 HA MET A 86 6.453 -1.638 4.235 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.446 -3.697 3.817 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.966 -3.825 2.886 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.486 -4.583 1.334 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.447 -2.881 0.917 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.372 -4.785 3.782 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.850 -5.453 3.147 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.367 -5.685 2.247 1.00 0.00 H new ATOM 1342 N VAL A 87 8.902 -1.020 3.610 1.00 0.00 N ATOM 1343 CA VAL A 87 10.130 -0.283 3.338 1.00 0.00 C ATOM 1344 C VAL A 87 11.351 -1.188 3.455 1.00 0.00 C ATOM 1345 O VAL A 87 11.416 -2.053 4.329 1.00 0.00 O ATOM 1346 CB VAL A 87 10.294 0.908 4.300 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.259 0.436 5.746 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.585 1.657 4.006 1.00 0.00 C ATOM 0 H VAL A 87 8.911 -1.546 4.484 1.00 0.00 H new ATOM 0 HA VAL A 87 10.055 0.091 2.317 1.00 0.00 H new ATOM 0 HB VAL A 87 9.460 1.593 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.376 1.292 6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.305 -0.051 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.071 -0.271 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.684 2.495 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.433 0.983 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.564 2.030 2.982 1.00 0.00 H new ATOM 1358 N THR A 88 12.319 -0.984 2.567 1.00 0.00 N ATOM 1359 CA THR A 88 13.539 -1.781 2.569 1.00 0.00 C ATOM 1360 C THR A 88 14.770 -0.905 2.367 1.00 0.00 C ATOM 1361 O THR A 88 14.891 -0.209 1.359 1.00 0.00 O ATOM 1362 CB THR A 88 13.506 -2.861 1.471 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.572 -3.888 1.821 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.885 -3.471 1.270 1.00 0.00 C ATOM 0 H THR A 88 12.281 -0.273 1.837 1.00 0.00 H new ATOM 0 HA THR A 88 13.598 -2.265 3.544 1.00 0.00 H new ATOM 0 HB THR A 88 13.195 -2.390 0.539 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.663 -3.589 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.837 -4.231 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.588 -2.692 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.220 -3.928 2.201 1.00 0.00 H new ATOM 1372 N LYS A 89 15.682 -0.943 3.332 1.00 0.00 N ATOM 1373 CA LYS A 89 16.906 -0.153 3.260 1.00 0.00 C ATOM 1374 C LYS A 89 18.097 -1.029 2.884 1.00 0.00 C ATOM 1375 O LYS A 89 18.977 -1.282 3.705 1.00 0.00 O ATOM 1376 CB LYS A 89 17.171 0.538 4.600 1.00 0.00 C ATOM 1377 CG LYS A 89 18.407 1.420 4.595 1.00 0.00 C ATOM 1378 CD LYS A 89 18.544 2.196 5.895 1.00 0.00 C ATOM 1379 CE LYS A 89 17.818 3.530 5.827 1.00 0.00 C ATOM 1380 NZ LYS A 89 16.339 3.361 5.878 1.00 0.00 N ATOM 0 H LYS A 89 15.597 -1.513 4.174 1.00 0.00 H new ATOM 0 HA LYS A 89 16.775 0.604 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.304 1.143 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.279 -0.220 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.294 0.805 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.355 2.117 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.143 1.604 6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.599 2.365 6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.140 4.161 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.093 4.046 4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.899 4.247 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.984 3.123 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.100 2.595 6.540 1.00 0.00 H new ATOM 1394 N GLY A 90 18.118 -1.487 1.636 1.00 0.00 N ATOM 1395 CA GLY A 90 19.207 -2.328 1.173 1.00 0.00 C ATOM 1396 C GLY A 90 19.196 -3.699 1.820 1.00 0.00 C ATOM 1397 O GLY A 90 18.529 -4.615 1.339 1.00 0.00 O ATOM 0 H GLY A 90 17.401 -1.291 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 90 19.141 -2.440 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.157 -1.837 1.385 1.00 0.00 H new ATOM 1401 N ARG A 91 19.938 -3.841 2.914 1.00 0.00 N ATOM 1402 CA ARG A 91 20.014 -5.111 3.626 1.00 0.00 C ATOM 1403 C ARG A 91 18.874 -5.239 4.632 1.00 0.00 C ATOM 1404 O ARG A 91 18.397 -6.340 4.908 1.00 0.00 O ATOM 1405 CB ARG A 91 21.359 -5.238 4.344 1.00 0.00 C ATOM 1406 CG ARG A 91 21.587 -6.603 4.972 1.00 0.00 C ATOM 1407 CD ARG A 91 21.930 -7.649 3.923 1.00 0.00 C ATOM 1408 NE ARG A 91 22.219 -8.950 4.521 1.00 0.00 N ATOM 1409 CZ ARG A 91 21.279 -9.816 4.885 1.00 0.00 C ATOM 1410 NH1 ARG A 91 19.998 -9.521 4.712 1.00 0.00 N ATOM 1411 NH2 ARG A 91 21.621 -10.980 5.422 1.00 0.00 N ATOM 0 H ARG A 91 20.495 -3.092 3.326 1.00 0.00 H new ATOM 0 HA ARG A 91 19.923 -5.915 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 91 22.161 -5.035 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 91 21.420 -4.475 5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 91 22.395 -6.539 5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 91 20.692 -6.909 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 91 21.099 -7.748 3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.793 -7.315 3.347 1.00 0.00 H new ATOM 0 HE ARG A 91 23.195 -9.208 4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 91 19.732 -8.627 4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 91 19.279 -10.188 4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 91 22.606 -11.210 5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 91 20.899 -11.644 5.701 1.00 0.00 H new ATOM 1425 N ARG A 92 18.442 -4.106 5.176 1.00 0.00 N ATOM 1426 CA ARG A 92 17.359 -4.092 6.152 1.00 0.00 C ATOM 1427 C ARG A 92 16.000 -4.111 5.458 1.00 0.00 C ATOM 1428 O ARG A 92 15.896 -3.816 4.267 1.00 0.00 O ATOM 1429 CB ARG A 92 17.468 -2.857 7.048 1.00 0.00 C ATOM 1430 CG ARG A 92 18.701 -2.856 7.937 1.00 0.00 C ATOM 1431 CD ARG A 92 18.476 -2.039 9.200 1.00 0.00 C ATOM 1432 NE ARG A 92 19.667 -2.001 10.046 1.00 0.00 N ATOM 1433 CZ ARG A 92 19.637 -1.723 11.344 1.00 0.00 C ATOM 1434 NH1 ARG A 92 18.483 -1.461 11.943 1.00 0.00 N ATOM 1435 NH2 ARG A 92 20.762 -1.707 12.047 1.00 0.00 N ATOM 0 H ARG A 92 18.825 -3.186 4.958 1.00 0.00 H new ATOM 0 HA ARG A 92 17.446 -4.988 6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.481 -1.965 6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.579 -2.794 7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.958 -3.881 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.548 -2.449 7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.191 -1.022 8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.645 -2.463 9.763 1.00 0.00 H new ATOM 0 HE ARG A 92 20.571 -2.199 9.616 1.00 0.00 H new ATOM 0 HH11 ARG A 92 17.616 -1.473 11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 92 18.463 -1.248 12.940 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.652 -1.908 11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 92 20.737 -1.493 13.044 1.00 0.00 H new ATOM 1449 N SER A 93 14.962 -4.461 6.210 1.00 0.00 N ATOM 1450 CA SER A 93 13.610 -4.524 5.666 1.00 0.00 C ATOM 1451 C SER A 93 12.579 -4.627 6.785 1.00 0.00 C ATOM 1452 O SER A 93 12.807 -5.291 7.796 1.00 0.00 O ATOM 1453 CB SER A 93 13.474 -5.718 4.719 1.00 0.00 C ATOM 1454 OG SER A 93 13.889 -6.918 5.349 1.00 0.00 O ATOM 0 H SER A 93 15.031 -4.705 7.198 1.00 0.00 H new ATOM 0 HA SER A 93 13.425 -3.605 5.109 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.438 -5.813 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.073 -5.547 3.825 1.00 0.00 H new ATOM 0 HG SER A 93 13.791 -7.666 4.724 1.00 0.00 H new ATOM 1460 N SER A 94 11.442 -3.964 6.596 1.00 0.00 N ATOM 1461 CA SER A 94 10.376 -3.977 7.591 1.00 0.00 C ATOM 1462 C SER A 94 9.255 -4.924 7.173 1.00 0.00 C ATOM 1463 O SER A 94 9.318 -5.553 6.116 1.00 0.00 O ATOM 1464 CB SER A 94 9.819 -2.566 7.790 1.00 0.00 C ATOM 1465 OG SER A 94 9.058 -2.154 6.668 1.00 0.00 O ATOM 0 H SER A 94 11.236 -3.412 5.764 1.00 0.00 H new ATOM 0 HA SER A 94 10.795 -4.331 8.533 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.197 -2.540 8.684 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.640 -1.867 7.953 1.00 0.00 H new ATOM 0 HG SER A 94 8.110 -2.117 6.912 1.00 0.00 H new ATOM 1471 N THR A 95 8.227 -5.020 8.010 1.00 0.00 N ATOM 1472 CA THR A 95 7.091 -5.890 7.730 1.00 0.00 C ATOM 1473 C THR A 95 5.978 -5.129 7.019 1.00 0.00 C ATOM 1474 O THR A 95 6.021 -3.904 6.913 1.00 0.00 O ATOM 1475 CB THR A 95 6.528 -6.512 9.022 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.430 -7.377 8.711 1.00 0.00 O ATOM 1477 CG2 THR A 95 6.071 -5.430 9.989 1.00 0.00 C ATOM 0 H THR A 95 8.158 -4.506 8.888 1.00 0.00 H new ATOM 0 HA THR A 95 7.455 -6.686 7.081 1.00 0.00 H new ATOM 0 HB THR A 95 7.321 -7.089 9.497 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.079 -7.770 9.537 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.677 -5.893 10.894 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.916 -4.792 10.246 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.292 -4.829 9.521 1.00 0.00 H new ATOM 1485 N TRP A 96 4.983 -5.863 6.534 1.00 0.00 N ATOM 1486 CA TRP A 96 3.857 -5.257 5.833 1.00 0.00 C ATOM 1487 C TRP A 96 2.944 -4.518 6.806 1.00 0.00 C ATOM 1488 O TRP A 96 2.450 -5.100 7.771 1.00 0.00 O ATOM 1489 CB TRP A 96 3.063 -6.325 5.080 1.00 0.00 C ATOM 1490 CG TRP A 96 3.753 -6.816 3.843 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.313 -8.047 3.651 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.957 -6.087 2.629 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.853 -8.126 2.390 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.647 -6.937 1.743 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.623 -4.799 2.202 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.009 -6.539 0.459 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 3.982 -4.404 0.928 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.669 -5.272 0.067 1.00 0.00 C ATOM 0 H TRP A 96 4.933 -6.879 6.613 1.00 0.00 H new ATOM 0 HA TRP A 96 4.252 -4.537 5.117 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.881 -7.169 5.745 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.089 -5.919 4.807 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.329 -8.841 4.383 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.330 -8.939 1.999 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.093 -4.124 2.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.539 -7.206 -0.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.729 -3.410 0.589 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.935 -4.935 -0.924 1.00 0.00 H new ATOM 1509 N SER A 97 2.724 -3.234 6.545 1.00 0.00 N ATOM 1510 CA SER A 97 1.873 -2.415 7.400 1.00 0.00 C ATOM 1511 C SER A 97 0.446 -2.956 7.424 1.00 0.00 C ATOM 1512 O SER A 97 0.055 -3.742 6.562 1.00 0.00 O ATOM 1513 CB SER A 97 1.872 -0.964 6.916 1.00 0.00 C ATOM 1514 OG SER A 97 1.469 -0.879 5.560 1.00 0.00 O ATOM 0 H SER A 97 3.123 -2.738 5.748 1.00 0.00 H new ATOM 0 HA SER A 97 2.275 -2.452 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.200 -0.371 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.869 -0.539 7.030 1.00 0.00 H new ATOM 0 HG SER A 97 0.491 -0.917 5.506 1.00 0.00 H new ATOM 1520 N MET A 98 -0.326 -2.528 8.418 1.00 0.00 N ATOM 1521 CA MET A 98 -1.709 -2.968 8.554 1.00 0.00 C ATOM 1522 C MET A 98 -2.429 -2.924 7.210 1.00 0.00 C ATOM 1523 O MET A 98 -2.698 -1.849 6.672 1.00 0.00 O ATOM 1524 CB MET A 98 -2.447 -2.094 9.569 1.00 0.00 C ATOM 1525 CG MET A 98 -2.088 -0.619 9.476 1.00 0.00 C ATOM 1526 SD MET A 98 -3.090 0.410 10.567 1.00 0.00 S ATOM 1527 CE MET A 98 -2.068 0.440 12.037 1.00 0.00 C ATOM 0 H MET A 98 -0.017 -1.877 9.140 1.00 0.00 H new ATOM 0 HA MET A 98 -1.702 -3.999 8.909 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.521 -2.208 9.422 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.224 -2.451 10.574 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.035 -0.489 9.726 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.215 -0.282 8.447 1.00 0.00 H new ATOM 0 HE1 MET A 98 -2.555 1.040 12.806 1.00 0.00 H new ATOM 0 HE2 MET A 98 -1.928 -0.577 12.404 1.00 0.00 H new ATOM 0 HE3 MET A 98 -1.098 0.875 11.797 1.00 0.00 H new ATOM 1537 N THR A 99 -2.739 -4.099 6.670 1.00 0.00 N ATOM 1538 CA THR A 99 -3.425 -4.194 5.388 1.00 0.00 C ATOM 1539 C THR A 99 -4.722 -3.392 5.398 1.00 0.00 C ATOM 1540 O THR A 99 -5.682 -3.755 6.077 1.00 0.00 O ATOM 1541 CB THR A 99 -3.743 -5.658 5.028 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.655 -6.505 5.416 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.000 -5.805 3.536 1.00 0.00 C ATOM 0 H THR A 99 -2.525 -4.998 7.101 1.00 0.00 H new ATOM 0 HA THR A 99 -2.751 -3.781 4.637 1.00 0.00 H new ATOM 0 HB THR A 99 -4.643 -5.954 5.566 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.865 -7.434 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.222 -6.847 3.306 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.847 -5.182 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.115 -5.492 2.982 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.743 -2.301 4.640 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.923 -1.449 4.560 1.00 0.00 C ATOM 1553 C ALA A 100 -6.846 -1.895 3.430 1.00 0.00 C ATOM 1554 O ALA A 100 -6.428 -1.993 2.276 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.514 0.003 4.367 1.00 0.00 C ATOM 0 H ALA A 100 -3.956 -1.986 4.072 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.470 -1.539 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.405 0.627 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.901 0.323 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.942 0.100 3.444 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.102 -2.165 3.770 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.084 -2.600 2.784 1.00 0.00 C ATOM 1563 C HIS A 101 -9.878 -1.413 2.247 1.00 0.00 C ATOM 1564 O HIS A 101 -10.403 -0.607 3.013 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.035 -3.628 3.399 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.336 -4.823 3.970 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -8.848 -5.934 3.370 1.00 0.00 N flip ATOM 1568 CD2 HIS A 101 -9.072 -4.969 5.316 1.00 0.00 C flip ATOM 1569 CE1 HIS A 101 -8.302 -6.722 4.353 1.00 0.00 C flip ATOM 1570 NE2 HIS A 101 -8.450 -6.117 5.518 1.00 0.00 N flip ATOM 0 H HIS A 101 -8.464 -2.090 4.721 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.549 -3.062 1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.617 -3.148 4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.741 -3.960 2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -9.333 -4.256 6.084 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.829 -7.680 4.199 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.137 -6.475 6.420 1.00 0.00 H new ATOM 1579 N GLY A 102 -9.961 -1.313 0.923 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.692 -0.221 0.307 1.00 0.00 C ATOM 1581 C GLY A 102 -11.729 -0.706 -0.687 1.00 0.00 C ATOM 1582 O GLY A 102 -11.390 -1.297 -1.712 1.00 0.00 O ATOM 0 H GLY A 102 -9.535 -1.968 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.183 0.367 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.990 0.442 -0.199 1.00 0.00 H new ATOM 1586 N THR A 103 -12.999 -0.456 -0.384 1.00 0.00 N ATOM 1587 CA THR A 103 -14.090 -0.873 -1.256 1.00 0.00 C ATOM 1588 C THR A 103 -14.534 0.267 -2.164 1.00 0.00 C ATOM 1589 O THR A 103 -15.207 1.200 -1.723 1.00 0.00 O ATOM 1590 CB THR A 103 -15.301 -1.370 -0.443 1.00 0.00 C ATOM 1591 OG1 THR A 103 -14.855 -2.033 0.745 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.155 -2.319 -1.270 1.00 0.00 C ATOM 0 H THR A 103 -13.297 0.034 0.460 1.00 0.00 H new ATOM 0 HA THR A 103 -13.711 -1.693 -1.866 1.00 0.00 H new ATOM 0 HB THR A 103 -15.907 -0.506 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.631 -2.344 1.257 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.004 -2.657 -0.675 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.517 -1.802 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.557 -3.179 -1.570 1.00 0.00 H new ATOM 1600 N THR A 104 -14.156 0.187 -3.436 1.00 0.00 N ATOM 1601 CA THR A 104 -14.515 1.213 -4.406 1.00 0.00 C ATOM 1602 C THR A 104 -16.017 1.473 -4.401 1.00 0.00 C ATOM 1603 O THR A 104 -16.790 0.695 -3.841 1.00 0.00 O ATOM 1604 CB THR A 104 -14.079 0.817 -5.830 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.526 -0.510 -6.128 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.567 0.893 -5.973 1.00 0.00 C ATOM 0 H THR A 104 -13.601 -0.579 -3.818 1.00 0.00 H new ATOM 0 HA THR A 104 -13.991 2.122 -4.113 1.00 0.00 H new ATOM 0 HB THR A 104 -14.530 1.518 -6.533 1.00 0.00 H new ATOM 0 HG1 THR A 104 -14.046 -0.848 -6.913 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.283 0.609 -6.986 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.233 1.912 -5.774 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.100 0.213 -5.261 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.426 2.571 -5.029 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.836 2.933 -5.096 1.00 0.00 C ATOM 1616 C PHE A 105 -18.575 2.058 -6.104 1.00 0.00 C ATOM 1617 O PHE A 105 -17.991 1.157 -6.705 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.989 4.407 -5.476 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.718 5.350 -4.338 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.385 5.212 -3.132 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.796 6.375 -4.476 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.138 6.077 -2.083 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.544 7.244 -3.430 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.217 7.095 -2.233 1.00 0.00 C ATOM 0 H PHE A 105 -15.800 3.225 -5.499 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.273 2.771 -4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.309 4.635 -6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.001 4.576 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.107 4.418 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.268 6.497 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.664 5.957 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.822 8.038 -3.549 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.023 7.774 -1.416 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.864 2.330 -6.283 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.683 1.566 -7.217 1.00 0.00 C ATOM 1636 C GLU A 106 -20.660 2.200 -8.605 1.00 0.00 C ATOM 1637 O GLU A 106 -21.027 3.364 -8.775 1.00 0.00 O ATOM 1638 CB GLU A 106 -22.124 1.476 -6.710 1.00 0.00 C ATOM 1639 CG GLU A 106 -22.333 0.398 -5.659 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.713 0.454 -5.033 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -24.685 0.044 -5.701 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -23.819 0.906 -3.874 1.00 0.00 O ATOM 0 H GLU A 106 -20.363 3.073 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 106 -20.266 0.561 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.414 2.440 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.786 1.282 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -22.184 -0.581 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.579 0.505 -4.879 1.00 0.00 H new ATOM 1649 N LEU A 107 -20.225 1.428 -9.594 1.00 0.00 N ATOM 1650 CA LEU A 107 -20.153 1.912 -10.968 1.00 0.00 C ATOM 1651 C LEU A 107 -21.502 1.774 -11.666 1.00 0.00 C ATOM 1652 O LEU A 107 -22.046 2.748 -12.186 1.00 0.00 O ATOM 1653 CB LEU A 107 -19.082 1.144 -11.745 1.00 0.00 C ATOM 1654 CG LEU A 107 -19.131 1.278 -13.267 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -18.867 2.717 -13.685 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -18.127 0.339 -13.919 1.00 0.00 C ATOM 0 H LEU A 107 -19.917 0.464 -9.470 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.886 2.968 -10.941 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.103 1.479 -11.402 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -19.165 0.087 -11.491 1.00 0.00 H new ATOM 0 HG LEU A 107 -20.130 1.000 -13.604 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.906 2.793 -14.772 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.625 3.368 -13.248 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.881 3.023 -13.335 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.177 0.449 -15.002 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.122 0.585 -13.575 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -18.362 -0.690 -13.647 1.00 0.00 H new